ethyl 6-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]oxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]oxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]oxymethyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H16BrFN2O5 MolecularWeight: 427.221743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C17H16BrFN2O5/c1-2-25-16(23)12-8-20-17(24)21-14(12)9-26-15(22)6-3-10-7-11(18)4-5-13(10)19/h3-7H,2,8-9H2,1H3,(H2,20,21,24)/b6-3+